Chem Behenic Acid Methyl Ester

Compound 10
  CheckMol                        TMF02:r0:m0
MF=C23H46O2 MW=354.62
 25 24  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0117   -1.4780   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2668   -2.2170   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3137   -2.2170   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454   -1.4545   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6158   -1.4545   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9178   -2.1935   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2198   -1.4310   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5218   -2.1700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8238   -1.4076   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1259   -2.1466   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4279   -1.3841   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7299   -2.1231   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0319   -1.3607   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3339   -2.0997   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6360   -1.3372   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9380   -2.0762   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2400   -1.3137   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5420   -2.0527   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.8440   -1.2903   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.1461   -2.0293   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.4481   -1.2668   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.7501   -2.0058   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.0521   -1.2434   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.3541   -1.9824   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END

Behenic Acid Methyl Ester

₹ 0.00 0.00

Chemical Name - Behenic Acid Methyl Ester
Mol Weight - 354.616
Smiles - CCCCCCCCCCCCCCCCCCCCCC(OC)=O

Property Name	Property Value
Mol Name	Behenic Acid Methyl Ester
Molweight	354.616
Monoisotopic Mass	354.34978
Clogp	9.2168
Clogs	-5.987
H Acceptors	2
Total Surface Area	340.97
Relative Psa	0.067572
Polar Surface Area	26.3
Druglikeness	-35.364
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.96
Molecular Flexibility	0.51405
Molecular Complexity	0.42796
Fragments	1
Non H Atoms	25
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	21
Sp3 Atoms	23
Smiles	CCCCCCCCCCCCCCCCCCCCCC(OC)=O
InChIKey
InChI	C23H46O2

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Behenic Acid Methyl Ester